On fixed point and almost fixed point problems of lower semicontinuous type multivalued mappings

In the present paper, some new almost fixed point theorems and fixed point theorems for lower semicontinuous type multivalued mappings are obtained in metrizable <em>H</em>-spaces.     

二元合金微观偏析的相场法数值模拟

使用耦合溶质场的相场模拟研究了Ni-Cu二元合金枝晶生长过程中固相溶质扩散系数D_s 对枝晶形貌和微观偏析等的影响.计算结果表明，随着D_s的减少，固液界 面前沿溶质扩散层越薄，枝晶生长越有利，枝晶尖端生长的速度越大，侧向分支越发达；D< sub>s越小，固相中溶质成分的波动越强烈，随着D_s的增大，固相中溶质 成分的波动相应减小；溶质微观偏析程度随D_s的增大而减小. 关键词： 相场方法 微观偏析 固相扩散系数 数值模拟     

On Super-KMS functionals and entire cyclic cohomology

We formulate the super-KMS condition suggested by Connes and Kastler, in the context of entire cyclic cohomology of quantum algebras. We show that the Chern character of Jaffe, Lesniewski, and Osterwalder — associated by Kastler to a super-KMS functional — satisfies the entire growth condition. Hence, a super-KMS functional defines a cocycle for the entire cyclic cohomology of quantum algebras.Supported in part by the National Science Foundation.     

Fields as Kolmogzrov flows

It is widely recognized that for highly unstable dynamical systems there exists a fundamental limitation on predictability and determinism. An important class of such highly unstable systems is the class of K-flow, which is further characterized by the existence of time-asymmetric objects in the form of K-partition. Our recent approach to the problem of irreversibility has shown that when the implications of the limitation on determinism arising from strong form of instability and those of the existence of K-partition are consistently taken into account, one is naturally led from the physically unrealizable deterministic evolution of phase points to an entropy-increasing stochastic Markovian evolution. Furthermore, this transition is not the result of extraneously imposed coarse graining and/or approximation schemes, but can be brought about by an invertible transformation whose existence and construction are determined by the nature of the instability of the dynamical system itself. After a brief review of this theory which also contains some relatively new remarks, we prove that classical Klein-Gordon field (both massive and massless) possess the structure of K-flow. This seems to provide the first examples of relativistic systems that are K-flows. Some of the implications of this result are briefly discussed. From a mathematical point of view, this seems to be a first step toward an ergodic theory of partial differential equations. In the process, we also provide an independant group-theoretic proof of the existence of incoming and outgoing subspaces of the scattering theory of Lax and Phillips for the wave equation.     

Synthesis and Characterization of Tetraosmium Carbonyl Complexes Containing a Bridging CO2 Ligand

Treatment of (thd)H (thd=2,2,6,6-tetramethyl-3,5-heptandionate) with excess Os&lt;sub>3&lt;/sub>(CO)&lt;sub>12&lt;/sub> in an autoclave at 180°C gives the formation of a brown metal chain complex [Os&lt;sub>2&lt;/sub>(CO)&lt;sub>5&lt;/sub>(thd)&lt;sub>2&lt;/sub>]&lt;sub>2&lt;/sub> (&lt;b>1&lt;/b>) and a yellow CO&lt;sub>2&lt;/sub> cluster complex [Os&lt;sub>4&lt;/sub>(&lt;i>&lt;img src="/content/l37r212v9kk208g5/xxlarge956.gif" alt="mgr" align="MIDDLE" BORDER="0">&lt;/i>-H)(&lt;i>&lt;img src="/content/l37r212v9kk208g5/xxlarge956.gif" alt="mgr" align="MIDDLE" BORDER="0">&lt;/i>-CO&lt;sub>2&lt;/sub>)(thd)(CO)&lt;sub>13&lt;/sub>] (&lt;b>2&lt;/b>) in low yields. Complex &lt;b>2&lt;/b> was fully identified by a combination of spectroscopic methods and X-ray diffraction study, showing a unique CO&lt;sub>2&lt;/sub> ligand bridging a triosmium metal fragment, Os&lt;sub>3&lt;/sub>(&lt;i>&lt;img src="/content/l37r212v9kk208g5/xxlarge956.gif" alt="mgr" align="MIDDLE" BORDER="0">&lt;/i>-H)(CO)&lt;sub>10&lt;/sub> and a monometallic osmium fragment, Os(CO)&lt;sub>3&lt;/sub>(thd). Upon treatment of &lt;b>1&lt;/b> with Me&lt;sub>3&lt;/sub>NO at an elevated temperature, oxidation of the CO ligand occurred at the position trans to the unique CO&lt;sub>2&lt;/sub> ligand on the Os(CO)&lt;sub>3&lt;/sub>(thd) fragment, giving the formation of a second CO&lt;sub>2&lt;/sub> cluster [Os&lt;sub>4&lt;/sub>(&lt;i>&lt;img src="/content/l37r212v9kk208g5/xxlarge956.gif" alt="mgr" align="MIDDLE" BORDER="0">&lt;/i>-H)(&lt;i>&lt;img src="/content/l37r212v9kk208g5/xxlarge956.gif" alt="mgr" align="MIDDLE" BORDER="0">&lt;/i>-CO&lt;sub>2&lt;/sub>)(thd)(CO)&lt;sub>12&lt;/sub>(NCMe)] (&lt;b>3&lt;/b>), which is stabilized by a weakly coordinated acetonitrile molecule.     

Phosphorescence lifetime of naphthalene and phenanthrene in aggregated aromatic molecule-β-cyclodextrin-precipitant complexes

Aggregated aromatic molecule-&lt;img src="/content/n172l724h5304v21/xxlarge946.gif" alt="beta" align="MIDDLE" BORDER="0">-cyclodextrin-precipitant complexes exhibit long-lived phosphorescence at room temperature in water after the chemical binding of oxygen. The temperature dependences of the phosphorescence lifetimes of naphthalene-h&lt;sub>8&lt;/sub>, naphthalene-de, and phenanthrene in the aggregates were measured. For example, the phosphorescence lifetimes of naphthalene-d&lt;sub>8&lt;/sub> aggregated with &lt;img src="/content/n172l724h5304v21/xxlarge946.gif" alt="beta" align="MIDDLE" BORDER="0">-cyclodextrin and cyclohexane are equal to 25.1, 17.6, and 6.8 s at 77, 276, and 347 K, respectively, and that of phenanthrene aggregated with isooctane and &lt;img src="/content/n172l724h5304v21/xxlarge946.gif" alt="beta" align="MIDDLE" BORDER="0">-cyclodextrin are 3.24, 3.06, and 1.26 s at 268, 274, and 335 K, respectively. The temperature dependences of the phosphorescence lifetimes at room temperature are determined by the rate constants of the radiative and nonradiative transitions from the triplet state of an aromatic molecule.Translated from&lt;i>Izvestiya Akademii Nauk. Seriya Khimicheskaya&lt;/i>, No. 9, pp. 2225–2228, September, 1996.     

On-column injection onto capillary columns. Part 2: Study of sampling conditions; practical recommendations

During one year continuous use of on-column injection, the typical advantages described in our first report have fully been confirmed. In addition the analysis of large sample volumes has proved promising. Only minor modifications have been applied to the on-column injector device. Broad evidence has been gathered showing that full separation efficiency of the capillary columns after on-column injection is attained only when cold trapping or the solvent effect, as band shortening mechanisms, are working- While, under the conditions of on-column injection, cold trapping is less efficient than with other injection techniques, the opposite holds true for the solvent effect. Compared with splitless injection, the danger of excessive solvent condensation on the column is increased. A working rule is presented for establishing the optimal chromatographic conditions for handling large sample volumes while ensuring full separation efficiency yet avoiding harm to the column.     

锡—邻菲咯啉络合物吸附极谱波的研究及应用

研究了锡－邻菲咯啉体系的极谱行为，在ｐＨ＝２．５０的０．１０ｍｏｌ／Ｌ氯乙酸－氯乙酸钠介质中，在单扫描极谱上，Ｓｎ－邻菲咯啉络合物于－０．４１Ｖ电位处产生一良好的吸附还原波。波高与Ｓｎ的浓度在２．０×１０＾－８－４．０×１０＾－６ｍｏｌ／Ｌ范围内呈线性关系；检出限为１．０×１０＾－８ｍｏｌ／Ｌ Ｓｎ，对合金标样中的锡进行测定，取得了满意的结果。     

Reaction paths of some open-shell reactive intermediates

The intermolecular interaction energy for reacting systems in singlet, triplet and doublet states was partitioned by the perturbation expansion method into the chemically meaningful five interaction terms: the Coulomb, exchange-repulsion, induction, dispersion, and charge-transfer energies. In the local ZDO approximation, these energy terms were evaluated for the dimerization of methylenes (&lt;sup>1,3&lt;/sup>CH&lt;sub>2&lt;/sub>), the additions of carbenes (&lt;sup>1,3&lt;/sup>CH&lt;sub>2&lt;/sub> and&lt;sup>1,3&lt;/sup>CF&lt;sub>2&lt;/sub>) as well as amino radicals (&lt;sup>2&lt;/sup>NH&lt;sub>2&lt;/sub> and&lt;sup>2&lt;/sup>NF&lt;sub>2&lt;/sub>) toward ethylene, and the hydrogen abstractions by methylenes (&lt;sup>1,3&lt;/sup>CH&lt;sub>2&lt;/sub>), nitrene (&lt;sup>3&lt;/sup>NH), and hydroxyl radical (&lt;sup>2&lt;/sup>OH) from methane. It has been found that the reaction path is much influenced by the spinmultiplicity, and that the charge-transfer and exchange-repulsion terms play a dominant role in determining the course of reactions.     

Ab initio SCF investigation of the intramolecular hydrogen bonding in δ-aminopentanoic acid

The potential energy surface of the neutral form of&lt;i>&lt;img src="/content/7541j415l4768123/xxlarge948.gif" alt="delta" align="BASELINE" BORDER="0">&lt;/i>-aminopentanoic acid was investigated by means of ab initio 4-31G SCF calculations. Four symmetry unique local minima are stabilized by an intramolecular O-H &lt;img src="/content/7541j415l4768123/xxlarge8943.gif" alt="ctdot" align="MIDDLE" BORDER="0"> NH&lt;sub>2&lt;/sub> hydrogen bond. The geometries, energies, and wave numbers of these conformers are reported. The hydrogen bond is discussed with respect to all reactions of these conformers and in comparison with the homologues glycine,&lt;i>&lt;img src="/content/7541j415l4768123/xxlarge914.gif" alt="Bgr" align="BASELINE" BORDER="0">&lt;/i>-alanine, and&lt;i>&lt;img src="/content/7541j415l4768123/xxlarge947.gif" alt="gamma" align="MIDDLE" BORDER="0">&lt;/i>-aminobutyric acid and also with the bimolecular adducts between formic acid, acetic acid, and propionic acid, on the one hand, and ammonia, methylamine, and ethylamine, on the other hand.